SCHEMBL7863273

SCHEMBL7863273

N=C(N)Nc1cccc(CNc2cccc(C(CC(=O)O)c3ccccc3)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.43
HIF1A Q16665 3/20 0.42
PARP1 P09874 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
JAK3 P52333 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
HDAC4 P56524 1/20 0.40
MEF2D Q14814 1/20 0.40
AURKA O14965 1/20 0.39
RPS6KB1 P23443 1/20 0.39
AURKB Q96GD4 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
LMNA P02545 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7863285 0.87 ITGB3 (0.48) PARP1ITGB3ITGA2BPOLBMAPT
SCHEMBL7866927 0.83 FFAR1 (0.45) FFAR1HIF1AHDAC8HDAC6ITGB3
SCHEMBL7863288 0.83 SIRT2 (0.48) HDAC8HDAC6ITGB3ITGA2BMAPT
SCHEMBL7856433 0.81 ITGB3 (0.54) PARP1ITGB3ITGA2BPOLBMAPT
SCHEMBL7863151 0.81 KMT2A (0.57) FFAR1
SCHEMBL7864761 0.79 ITGB3 (0.43) ITGB3ITGA2BPOLBMAPT
SCHEMBL7861944 0.79 HDAC1 (0.45) PARP1ITGB3ITGA2BPOLBMAPT
SCHEMBL7864754 0.79 PTPN11 (0.48) FFAR1PARP1ITGB3ITGA2BPOLB
SCHEMBL7856431 0.79 HDAC1 (0.45) PARP1ITGB3ITGA2BPOLBMAPT
SCHEMBL7856539 0.78 ITGB3 (0.41) ITGB3MAPTLMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0889877-B1 META-SUBSTITUTED PHENYLENE DERIVATIVES AND THEIR USE AS ALPHAvBETA3 INTEGRIN ANTAGONISTS OR INHIBITORS SEARLE & CO (US) 2001-08-29 EP claimed
EP-0889877-B1 META-SUBSTITUTED PHENYLENE DERIVATIVES AND THEIR USE AS ALPHAvBETA3 INTEGRIN ANTAGONISTS OR INHIBITORS SEARLE & CO (US) 2001-08-29 EP disclosed